AMBER Archive (2007)Subject: Re: AMBER: Atoms closer to 2 angstroms to each other
From: David A. Case (case_at_scripps.edu)
Date: Mon May 07 2007 - 09:55:30 CDT
On Mon, May 07, 2007, Christopher Gaughan wrote:
>
> I would like to put a TER card after each 28aa
> mer in each strand to simulate the strand being composed of 8 distinct
> units. When I do so, Amber just reconnects them. I assume this is because
> the consecutive C and N termini I wish to simulate are too close together.
This is not correct. Amber may not be recognizing your TER cards (you need
a space after the "TER" in earlier versions of the code. Of course, this is
just a guess, since you did not give any details of what you did. But Amber
would not ignore a TER card based on any distances in the structure.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|